![3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/3319/331962-40-4.webp)
3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 331962-40-4) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one, 2,5,6-trimethyl-3-[(E)-(phenylmethylidene)amino]-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.26546 |
| Topological Polar Surface Area | 47.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 891.26636 |
Chemical Identifiers
| CAS Number | 331962-40-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)C)N=CC3=CC=CC=C3)C |
Product Overview
3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 331962-40-4), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.26546 indicates that 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.25 Ų, 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is 331962-40-4.
What is the molecular formula of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is C16H15N3OS.
What is the molecular weight of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is 297.09 g/mol.
Where can I buy 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylideneamino)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.